4-(7-Nitro-2,1,3-benzoxadiazol-4-yl)piperazine-1-carbaldehyde
TL;DR: 4-(7-Nitro-2,1,3-benzoxadiazol-4-yl)piperazine-1-carbaldehyde (CAS 61785-75-9) is a chemical compound with molecular formula C11H11N5O4 and molecular weight 277.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-nitro-2,1,3-benzoxadiazol-7-yl)piperazine-1-carbaldehyde
Also Known As: 4-(4-nitro-2,1,3-benzoxadiazol-7-yl)piperazine-1-carbaldehyde, 4-(7-Nitro-2,1,3-benzoxadiazol-4-yl)piperazine-1-carbaldehyde
| Molecular Formula | C11H11N5O4 |
|---|---|
| Molecular Weight | 277.08 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 277.08112 |
| Heavy Atoms | 20 |
| Complexity | 381.0 |
Chemical Identifiers
| CAS Number | 61785-75-9 |
|---|---|
| SMILES | C1CN(CCN1C=O)C2=CC=C(C3=NON=C23)[N+](=O)[O-] |
| InChIKey | CMNLHTDBEGECCX-UHFFFAOYSA-N |
Product Overview
4-(7-Nitro-2,1,3-benzoxadiazol-4-yl)piperazine-1-carbaldehyde (CAS 61785-75-9), with molecular formula C11H11N5O4 and molecular weight 277.08 g/mol. IUPAC: 4-(4-nitro-2,1,3-benzoxadiazol-7-yl)piperazine-1-carbaldehyde.
Chemical Property Profile of 4-(7-Nitro-2,1,3-benzoxadiazol-4-yl)piperazine-1-carbaldehyde
Property Insights of 4-(7-Nitro-2,1,3-benzoxadiazol-4-yl)piperazine-1-carbaldehyde
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(7-Nitro-2,1,3-benzoxadiazol-4-yl)piperazine-1-carbaldehyde. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(7-Nitro-2,1,3-benzoxadiazol-4-yl)piperazine-1-carbaldehyde. Following Lipinski's Rule of Five, 4-(7-Nitro-2,1,3-benzoxadiazol-4-yl)piperazine-1-carbaldehyde has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(7-Nitro-2,1,3-benzoxadiazol-4-yl)piperazine-1-carbaldehyde?
The CAS number of 4-(7-Nitro-2,1,3-benzoxadiazol-4-yl)piperazine-1-carbaldehyde is 61785-75-9.
What is the molecular formula of 4-(7-Nitro-2,1,3-benzoxadiazol-4-yl)piperazine-1-carbaldehyde?
The molecular formula of 4-(7-Nitro-2,1,3-benzoxadiazol-4-yl)piperazine-1-carbaldehyde is C11H11N5O4.
What is the molecular weight of 4-(7-Nitro-2,1,3-benzoxadiazol-4-yl)piperazine-1-carbaldehyde?
The molecular weight of 4-(7-Nitro-2,1,3-benzoxadiazol-4-yl)piperazine-1-carbaldehyde is 277.08 g/mol.
Where can I buy 4-(7-Nitro-2,1,3-benzoxadiazol-4-yl)piperazine-1-carbaldehyde?
You can request a quote for 4-(7-Nitro-2,1,3-benzoxadiazol-4-yl)piperazine-1-carbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(7-Nitro-2,1,3-benzoxadiazol-4-yl)piperazine-1-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 4-(7-Nitro-2,1,3-benzoxadiazol-4-yl)piperazine-1-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.